SCHEMBL2986147

SCHEMBL2986147

Oc1cccc(Nc2cccc3[nH]ccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.57
TTBK1 Q5TCY1 1/20 0.52
TTBK2 Q6IQ55 1/20 0.52
BRAF P15056 4/20 0.51
EGFR P00533 2/20 0.49
ERBB2 P04626 2/20 0.49
AURKA O14965 1/20 0.49
SRC P12931 1/20 0.49
ACVR1 Q04771 1/20 0.49
PTK6 Q13882 1/20 0.49
ALK Q9UM73 1/20 0.49
AURKC Q9UQB9 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HDAC6 Q9UBN7 1/20 0.44
RET P07949 2/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
CCR4 P51679 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9132873 0.84 MAPK1 (0.51) MAPK14TTBK1TTBK2EGFRSRC
SCHEMBL27463226 0.82 MEN1 (0.59) MAPK14TTBK1TTBK2EGFRMAPK1
SCHEMBL4245668 0.81 MAPK14 (0.57) MAPK14EGFRAURKAMAPK1RET
SCHEMBL1116427 0.79 SYK (0.67) AURKA
SCHEMBL2976781 0.78 DHPS (0.48) EGFRMAPK1RETPDGFRBKDR
SCHEMBL858905 0.78 MAPK14 (0.60) MAPK14ERBB2AURKAPTK6MAPK1
SCHEMBL21257478 0.78 RAPGEF4 (0.46) MAPK14EGFRMAPK1RETPDGFRB
SCHEMBL858313 0.78 TTBK1 (0.63) TTBK1TTBK2BRAFEGFRERBB2
SCHEMBL9133306 0.76 MAPK1 (0.53) MAPK14EGFRMAPK1CYP3A4RET
SCHEMBL1920770 0.75 CYP3A4 (0.72) BRAFEGFRERBB2AURKASRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 MAPK14 227/4885TTBK1 223/4885TTBK2 362/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.